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Androstenediol 17-acetate

CAT: 0926-FAA93772-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FAA93772-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5937-72-4
Smiles
CC (=O) OC1CCC2C1 (CCC3C2CC=C4C3 (CCC (C4) O) C) C
Molecular Formula
C21H32O3
Molecular Weight
332.5 g/mol
Controlled
Yes

Chemical Information

Androstenediol 17-acetate
CAS Number5937-72-4
PubChem CID22790941
IUPAC Name[(3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP4.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity567
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
BMDNPBLUVJZAEA-BPSSIEEOSA-N
Chemical Structure
2D Structure
2D structure of Androstenediol 17-acetate
CAS: 5937-72-4
CID: 22790941
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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